2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine

C23H21FN4O — CID 53466372

IUPAC2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)n1
InChIInChI=1S/C23H21FN4O/c1-17-3-2-4-20(26-17)16-29-21-7-5-19(6-8-21)23-22(15-28(27-23)14-11-24)18-9-12-25-13-10-18/h2-10,12-13,15H,11,14,16H2,1H3
InChIKeyJIERRIRFENJBGS-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.86
Rot. Bonds7

About 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine

2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine (PubChem CID 53466372) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
PubChem CID53466372
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)n1
InChIInChI=1S/C23H21FN4O/c1-17-3-2-4-20(26-17)16-29-21-7-5-19(6-8-21)23-22(15-28(27-23)14-11-24)18-9-12-25-13-10-18/h2-10,12-13,15H,11,14,16H2,1H3
InChIKeyJIERRIRFENJBGS-UHFFFAOYSA-N
XLogP4.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine?
The IUPAC name of 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine (CID 53466372) is 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine is Cc1cccc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)n1.
What is the InChIKey of 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine?
The InChIKey is JIERRIRFENJBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-17-3-2-4-20(26-17)16-29-21-7-5-19(6-8-21)23-22(15-28(27-23)14-11-24)18-9-12-25-13-10-18/h2-10,12-13,15H,11,14,16H2,1H3.
What are the key properties of 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine?
2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine has a molecular weight of 388.45 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine is sourced from PubChem (CID 53466372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).